5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide

C24H26ClFN4O4S — CID 130302540

IUPAC5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2F)c1
InChIInChI=1S/C24H26ClFN4O4S/c1-15-12-30(13-16(2)34-15)14-17-4-5-20(21(26)8-17)22-10-19(6-7-27-22)29-35(31,32)23-9-18(25)11-28-24(23)33-3/h4-11,15-16H,12-14H2,1-3H3,(H,27,29)/t15-,16+
InChIKeyFCPLYCOIBCEJPN-IYBDPMFKSA-N
MW521.01 g/mol
LogP4.35
Rot. Bonds7

About 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide

5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 130302540) has the molecular formula C24H26ClFN4O4S and a molecular weight of 521.01 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
PubChem CID130302540
Molecular FormulaC24H26ClFN4O4S
Molecular Weight521.01 g/mol
Exact Mass520.13
IUPAC Name5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2F)c1
InChIInChI=1S/C24H26ClFN4O4S/c1-15-12-30(13-16(2)34-15)14-17-4-5-20(21(26)8-17)22-10-19(6-7-27-22)29-35(31,32)23-9-18(25)11-28-24(23)33-3/h4-11,15-16H,12-14H2,1-3H3,(H,27,29)/t15-,16+
InChIKeyFCPLYCOIBCEJPN-IYBDPMFKSA-N
XLogP4.35
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.01
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (CID 130302540) is 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2F)c1.
What is the InChIKey of 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is FCPLYCOIBCEJPN-IYBDPMFKSA-N. The full InChI is InChI=1S/C24H26ClFN4O4S/c1-15-12-30(13-16(2)34-15)14-17-4-5-20(21(26)8-17)22-10-19(6-7-27-22)29-35(31,32)23-9-18(25)11-28-24(23)33-3/h4-11,15-16H,12-14H2,1-3H3,(H,27,29)/t15-,16+.
What are the key properties of 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 521.01 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 130302540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).